2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide

C18H20N4O2 — CID 51103750

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H20N4O2/c1-12(17-13(2)21-24-14(17)3)18(23)20-16-7-5-15(6-8-16)11-22-10-4-9-19-22/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyMRXATEXQOSWOQE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.28
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 51103750) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID51103750
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H20N4O2/c1-12(17-13(2)21-24-14(17)3)18(23)20-16-7-5-15(6-8-16)11-22-10-4-9-19-22/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyMRXATEXQOSWOQE-UHFFFAOYSA-N
XLogP3.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
3-methyl-2-(3-methylbutanoylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55970952
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
CID 95142746
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 75469342
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 25404246
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 51103750) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide is Cc1noc(C)c1C(C)C(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is MRXATEXQOSWOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(17-13(2)21-24-14(17)3)18(23)20-16-7-5-15(6-8-16)11-22-10-4-9-19-22/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 51103750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).